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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339020

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.91
SS2(1R)-1-PHENYLETHANOLA1ZK00.88
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.88
SS2(1R)-1-PHENYLETHANOLA1ZJY0.88
12M(2-ETHYLPHENYL)METHANOLA,B2F620.88
SS11-PHENYLETHANOLH1UM50.88
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.83
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
PEL2-PHENYL-ETHANOLA,B1I0D0.79
PEL2-PHENYL-ETHANOLD,H2I0T0.79
PEL2-PHENYL-ETHANOLA,B1HZY0.79
PEL2-PHENYL-ETHANOLA,B1I0B0.79
PEL2-PHENYL-ETHANOLA1EYW0.79
PEL2-PHENYL-ETHANOLA,B1JGM0.79
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.78
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
341(3,5-difluorophenyl)methanolC3EON0.77
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
RSOR-STYRENE OXIDEA,B1PWZ0.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
2MP3,4-DIMETHYLPHENOLA1L5O0.75
2LP2-ALLYLPHENOLA1OV50.75
ETY4-ethylphenolA,B,C,D2RA60.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
SMN(S)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.72
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
1NP1-NAPHTHOLX2ZVQ0.7